2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine

C15H17FN2O2 — CID 107258624

IUPAC2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCc2ccccc2OC)c(F)cc1N
InChIInChI=1S/C15H17FN2O2/c1-19-14-6-4-3-5-10(14)9-18-13-8-15(20-2)12(17)7-11(13)16/h3-8,18H,9,17H2,1-2H3
InChIKeyBTQWPMPRESVVNL-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.04
Rot. Bonds5

About 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine (PubChem CID 107258624) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
PubChem CID107258624
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCc2ccccc2OC)c(F)cc1N
InChIInChI=1S/C15H17FN2O2/c1-19-14-6-4-3-5-10(14)9-18-13-8-15(20-2)12(17)7-11(13)16/h3-8,18H,9,17H2,1-2H3
InChIKeyBTQWPMPRESVVNL-UHFFFAOYSA-N
XLogP3.04
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
CID 43737081
1-N-[(3-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259169
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343041
2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 107258603
1-N-[(2,4-difluorophenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597669
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine (CID 107258624) is 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine is COc1cc(NCc2ccccc2OC)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine?
The InChIKey is BTQWPMPRESVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-19-14-6-4-3-5-10(14)9-18-13-8-15(20-2)12(17)7-11(13)16/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 107258624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).